ethyl 2-(2-amino-3-cyano-4,5-dimethyl-1H-pyrrol-1-yl)acetate
TL;DR: ethyl 2-(2-amino-3-cyano-4,5-dimethyl-1H-pyrrol-1-yl)acetate (CAS 107267-88-9) is a chemical compound with molecular formula C11H15N3O2 and molecular weight 221.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-amino-3-cyano-4,5-dimethylpyrrol-1-yl)acetate
Also Known As: ethyl 2-(2-amino-3-cyano-4,5-dimethyl-1H-pyrrol-1-yl)acetate, ethyl 2-(2-amino-3-cyano-4,5-dimethylpyrrol-1-yl)acetate, 8W-0314, Ethyl 2-(2-amino-3-cyano-4,5-dimethyl-pyrrol-1-yl)acetate, 2-Amino-3-cyano-4,5-dimethyl-1-pyrrolessigsaeure-ethylester
| Molecular Formula | C11H15N3O2 |
|---|---|
| Molecular Weight | 221.12 g/mol |
| LogP | 1.12192 |
| Topological Polar Surface Area | 81.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.11642 |
| Heavy Atoms | 16 |
| Complexity | 454.77524 |
Chemical Identifiers
| CAS Number | 107267-88-9 |
|---|---|
| SMILES | CCOC(=O)CN1C(=C(C(=C1N)C#N)C)C |
Product Overview
ethyl 2-(2-amino-3-cyano-4,5-dimethyl-1H-pyrrol-1-yl)acetate (CAS 107267-88-9), with molecular formula C11H15N3O2 and molecular weight 221.12 g/mol. IUPAC: ethyl 2-(2-amino-3-cyano-4,5-dimethylpyrrol-1-yl)acetate.
Chemical Property Profile of ethyl 2-(2-amino-3-cyano-4,5-dimethyl-1H-pyrrol-1-yl)acetate
Property Insights of ethyl 2-(2-amino-3-cyano-4,5-dimethyl-1H-pyrrol-1-yl)acetate
The XLogP value of 1.12192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(2-amino-3-cyano-4,5-dimethyl-1H-pyrrol-1-yl)acetate. The TPSA of 81.04 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(2-amino-3-cyano-4,5-dimethyl-1H-pyrrol-1-yl)acetate. Following Lipinski's Rule of Five, ethyl 2-(2-amino-3-cyano-4,5-dimethyl-1H-pyrrol-1-yl)acetate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-(2-amino-3-cyano-4,5-dimethyl-1H-pyrrol-1-yl)acetate?
The CAS number of ethyl 2-(2-amino-3-cyano-4,5-dimethyl-1H-pyrrol-1-yl)acetate is 107267-88-9.
What is the molecular formula of ethyl 2-(2-amino-3-cyano-4,5-dimethyl-1H-pyrrol-1-yl)acetate?
The molecular formula of ethyl 2-(2-amino-3-cyano-4,5-dimethyl-1H-pyrrol-1-yl)acetate is C11H15N3O2.
What is the molecular weight of ethyl 2-(2-amino-3-cyano-4,5-dimethyl-1H-pyrrol-1-yl)acetate?
The molecular weight of ethyl 2-(2-amino-3-cyano-4,5-dimethyl-1H-pyrrol-1-yl)acetate is 221.12 g/mol.
Where can I buy ethyl 2-(2-amino-3-cyano-4,5-dimethyl-1H-pyrrol-1-yl)acetate?
You can request a quote for ethyl 2-(2-amino-3-cyano-4,5-dimethyl-1H-pyrrol-1-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(2-amino-3-cyano-4,5-dimethyl-1H-pyrrol-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(2-amino-3-cyano-4,5-dimethyl-1H-pyrrol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.